Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.47 |
| ▸ | CTSB | P07858 | 1/20 | 0.41 |
| ▸ | CTSS | P25774 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 1/20 | 0.41 |
| ▸ | PIK3CD | O00329 | 5/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 5/20 | 0.38 |
| ▸ | PIK3CB | P42338 | 5/20 | 0.38 |
| ▸ | PIK3CG | P48736 | 5/20 | 0.38 |
| ▸ | OGA | O60502 | 3/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.33 |
| ▸ | SCN4A | P35499 | 2/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8111728 | 0.78 | SMN1; SMN2 (0.44) | PDK1CTSBCTSSCTSKPIK3CD | |
| SCHEMBL15880246 | 0.74 | OGA (0.51) | PIK3CDPIK3CAPIK3CBPIK3CGOGA | |
| SCHEMBL12865380 | 0.68 | PIK3CD (0.59) | PDK1PIK3CDPIK3CAPIK3CBPIK3CG | |
| SCHEMBL740899 | 0.68 | PDK1 (0.61) | PDK1HRH3 | |
| SCHEMBL31164729 | 0.67 | OGA (0.50) | PIK3CDPIK3CAPIK3CBPIK3CGOGA | |
| SCHEMBL2667265 | 0.66 | PDK1 (0.59) | PDK1 | |
| SCHEMBL743161 | 0.66 | PDK1 (0.59) | PDK1HTTHRH1HRH3DRD2 | |
| SCHEMBL605720 | 0.66 | HRH4 (0.46) | HRH1HRH3HTR2CHTR2A | |
| Hydrochloric Acid SCHEMBL3580520 | 0.65 | PDK1 (0.58) | PDK1HTTHRH1HRH3DRD2 | |
| SCHEMBL12654877 | 0.65 | HTR2C (0.45) | ROCK2HRH1USP2SMN1; SMN2TDP1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009001127-A1 | CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS | ASTRAZENECA AB (SE) | 2008-12-31 | — | — | WO | disclosed |
| WO-2009001127-A1 | CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS | ASTRAZENECA AB (SE) | 2008-12-31 | — | — | WO | disclosed |